Information card for entry 7204055

Structure parameters

• Chemical name: trans-4-[2-(3,4,5-trimethoxyphenyl)vinyl]benzoic acid / tris(imidazoline), 3:1 complex / ethanol hydrate
• Formula: C70 H83 N6 O19.5
• Calculated formula: C70 H75 N6 O19.5
• Title of publication: Luminescent supramolecular assemblies based on hydrogen­bonded complexes of stilbenecarboxylic acids and dithieno[3,2­b:2',3'­d]thiophene­2­carboxylic acids with a tris(imidazoline) base
• Authors of publication: Osterod, Frank; Peters, Lars; Kraft, Arno; Sano, Takeshi; Morrison, John J.; Feeder, Neil; Holmes, Andrew B.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2001
• Journal volume: 11
• Journal issue: 6
• Pages of publication: 1625
• a: 14.577 ± 0.002 Å
• b: 22.601 ± 0.004 Å
• c: 22.184 ± 0.003 Å
• α: 90°
• β: 105.52 ± 0.03°
• γ: 90°
• Cell volume: 7042 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2761
• Residual factor for significantly intense reflections: 0.1586
• Weighted residual factors for significantly intense reflections: 0.3645
• Weighted residual factors for all reflections included in the refinement: 0.4216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.6919 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No